N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C15H21N3O — CID 104614463

IUPACN-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc2c1NCCN2
InChIInChI=1S/C15H21N3O/c19-15(18-11-5-2-1-3-6-11)12-7-4-8-13-14(12)17-10-9-16-13/h4,7-8,11,16-17H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyVPKUSYLENALKSW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds2

About N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104614463) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104614463
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc2c1NCCN2
InChIInChI=1S/C15H21N3O/c19-15(18-11-5-2-1-3-6-11)12-7-4-8-13-14(12)17-10-9-16-13/h4,7-8,11,16-17H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyVPKUSYLENALKSW-UHFFFAOYSA-N
XLogP2.59
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615050
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615058
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-cyclohexyl-2-piperidin-4-ylbenzamide;hydrochloride
CID 170456891
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615124
N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
CID 166001097
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699638

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104614463) is N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is O=C(NC1CCCCC1)c1cccc2c1NCCN2.
What is the InChIKey of N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is VPKUSYLENALKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(18-11-5-2-1-3-6-11)12-7-4-8-13-14(12)17-10-9-16-13/h4,7-8,11,16-17H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104614463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).